1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine

C12H22N4 — CID 116876745

IUPAC1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine
SMILESCC(N)Cc1ncc(C2CCCN(C)C2)[nH]1
InChIInChI=1S/C12H22N4/c1-9(13)6-12-14-7-11(15-12)10-4-3-5-16(2)8-10/h7,9-10H,3-6,8,13H2,1-2H3,(H,14,15)
InChIKeyHOUCOKXQMNMVRP-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.11
Rot. Bonds3

About 1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine

1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine (PubChem CID 116876745) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine
PubChem CID116876745
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine
SMILESCC(N)Cc1ncc(C2CCCN(C)C2)[nH]1
InChIInChI=1S/C12H22N4/c1-9(13)6-12-14-7-11(15-12)10-4-3-5-16(2)8-10/h7,9-10H,3-6,8,13H2,1-2H3,(H,14,15)
InChIKeyHOUCOKXQMNMVRP-UHFFFAOYSA-N
XLogP1.11
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid
CID 116881783
4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine
CID 116877125
1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]cyclobutan-1-amine
CID 105495239
1-N-[5-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propane-1,2-diamine
CID 116974333
1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884662
2-amino-2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]ethanol
CID 116881626
5-(1-methylpiperidin-3-yl)pyridin-3-amine
CID 115018770
3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876953
1-methyl-4-[2-(piperidin-3-ylmethyl)-1H-imidazol-5-yl]piperidine
CID 116877683
1-(5-cyclopentyl-1H-imidazol-2-yl)-2-methylpropan-2-amine
CID 116876890
1-[5-(1-methylpyrrolidin-2-yl)-1H-imidazol-2-yl]ethanamine
CID 115019985
1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 115091086

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine?
The IUPAC name of 1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine (CID 116876745) is 1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine is CC(N)Cc1ncc(C2CCCN(C)C2)[nH]1.
What is the InChIKey of 1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine?
The InChIKey is HOUCOKXQMNMVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(13)6-12-14-7-11(15-12)10-4-3-5-16(2)8-10/h7,9-10H,3-6,8,13H2,1-2H3,(H,14,15).
What are the key properties of 1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine?
1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine has a molecular weight of 222.34 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine is sourced from PubChem (CID 116876745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).